Ligand name: 3-{[(1S)-2,2-difluoro-1-hydroxy-7-(methylsulfonyl)-2,3-dihydro-1H-inden-4-yl]oxy}-5-fluorobenzonitrile
PDB ligand accession: 79A
DrugBank: DB16055
PubChem: 91754484
ChEMBL: CHEMBL4173075
InChI Key: ONBSHRSJOPSEGS-INIZCTEOSA-N
SMILES: CS(=O)(=O)c1ccc(c2c1C(C(C2)(F)F)O)Oc3cc(cc(c3)F)C#N
Drug action: inhibitor

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organic oxygen compounds
    • Class: Organooxygen compounds
      • Subclass: Ethers

List of PDB structures and/or AlphaFold models with target protein Q99814

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
5TBM	Download	Experimental	e5tbmA1	Profilin-like	LigPlot